Geometry & MOs

Info

ID:	22395
PubChem CID:	597135
Reduced:	ClN3O5H12C13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	325.046548
ΔH_f, kcal/mol:	-99.52
Dipole, Da:	5.41
IP(EA), eV:	-9.87(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])Cl

DOS

IR

Vibrations